Structure database (LMSD)

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LM IDLMSP02010023
Common NameCer(d18:2/15:0)
Systematic NameN-(pentadecanoyl)-4E,14Z-sphingadienine
SynonymsCer[NS]
Exact Mass
521.4808 (neutral)    Calculate m/z:
FormulaC33H63NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem CID52931117
InChIKeyWVUMVKXTENDFEA-RLCAHUBLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C33H63NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32(36)31(30-35)34-33
(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h7,9,26,28,31-32,35-36H,3-6,8,10-25,27
,29-30H2,1-2H3,(H,34,37)/b9-7-,28-26+/t31-,32+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCC/C=C\CCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms37Rings0Aromatic Rings0Rotatable Bonds28
 van der Waals
Molecular Volume
608.91Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP9.81Molar
Refractivity
162.36